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Optical and magnetic properties of lanthanide(III) complexes with quercetin-5′-sulfonic acid in the solid state and silica glass
Journal of Molecular Structure ( IF 3.8 ) Pub Date : 2020-11-01 , DOI: 10.1016/j.molstruc.2020.128504
P. Godlewska , J. Hanuza , E. Kucharska , P. Solarz , S. Roszak , S.M. Kaczmarek , G. Leniec , M. Ptak , M. Kopacz , K. Hermanowicz

Abstract The lanthanide [Ln(QSA)3(H2O)](H2O)5 complexes in the polycrystalline state and embedded in the silica glass, where Ln = La, Pr, Nd, Eu, Sm, Dy, Er, Gd, Ho, Tb, were studied and characterized using spectroscopic methods. The europium complex was additionally studied theoretically based on the DFT approach which provided molecular structure and electron transition assignment. The emission spectra measured at 293 and 77 K proved the transformation of excitation pulses into the phonon energy. The EPR studies of the Er, Gd, Dy and Sm derivatives were used to determine spin Hamiltonian parameters and g – components. The antiferromagnetic interactions were found and the local monoclinic symmetry of the coordination polyhedron was proposed.

中文翻译:

镧系元素(III)与槲皮素-5'-磺酸的固态和石英玻璃配合物的光学和磁性

摘要 镧系元素 [Ln(QSA)3(H2O)](H2O)5 以多晶态复合并嵌入石英玻璃中,其中 Ln = La、Pr、Nd、Eu、Sm、Dy、Er、Gd、Ho,使用光谱方法研究和表征了 Tb。基于提供分子结构和电子跃迁分配的 DFT 方法,对铕络合物进行了理论研究。在 293 和 77 K 下测量的发射光谱证明了激发脉冲向声子能量的转化。Er、Gd、Dy 和 Sm 衍生物的 EPR 研究用于确定自旋哈密顿参数和 g – 分量。发现了反铁磁相互作用,并提出了配位多面体的局部单斜对称性。
更新日期:2020-11-01
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